Added 41 molecules from epoch 21694 for P23977

P23977_molecules.csv

@@ -43646,3 +43646,44 @@ rxn:2:92926:170235,Cc1cccc(-c2ccc3oc(C(C)NC4CCc5ncoc54)cc3c2)c1,IUCRNMLVXKRTIC-U
 rxn:2:93644:171218,CCC(Nc1cn[nH]n1)c1ccc(-c2ccc3sccc3c2)cc1,IKBFDUQRJNSXLK-UHFFFAOYSA-N
 rxn:2:93644:171426,CCC(Nc1cn[nH]n1)c1ccc(-c2cc(C)c(OC)cc2C)s1,BZDONEBQGKPXOK-UHFFFAOYSA-N
 rxn:2:95743:170026,CCCC(NCCN1CCCO1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,ZOMDKVVWOXQTGZ-UHFFFAOYSA-N
+rxn:2:100097:107408,CC(NC1CCC(CCN(C)C)CC1)c1ccc(-c2ccsc2)s1,XQMRPPHVYJCECS-UHFFFAOYSA-N
+rxn:2:101355:105101,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2ccc[nH]2)cc1,OHSOOOIDOPHUEI-UHFFFAOYSA-N
+rxn:2:103585:152446,CC(NCCS(=O)(=O)c1ccccn1)c1ccc(C#Cc2ccccc2)cc1,WGIUJKOVZBWTCX-UHFFFAOYSA-N
+rxn:2:105340:170502,Cc1cccc(-c2ccc(-c3ccc(C(C)NCCS(=O)(=O)F)s3)cc2)c1,OSKIOFBJCSIOIF-UHFFFAOYSA-N
+rxn:2:106791:108959,Cc1cc(N2CCC(NC(C)c3ccc(-c4cccs4)cc3)C2)[nH]n1,KJYQOVWZVNQJGR-UHFFFAOYSA-N
+rxn:2:107531:170892,CC(NCc1nn[nH]n1)c1ccc(-c2cc3sccc3s2)s1,JIDVOABIMTXLRC-UHFFFAOYSA-N
+rxn:2:107651:172375,CC(Nc1cnco1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,FFRZXVIOAXOIAD-UHFFFAOYSA-N
+rxn:2:110478:169412,Cc1csc(-c2ccc(CCC(C)NC(C)c3nnn[nH]3)cc2)c1,YGSVCCXLALNBIJ-UHFFFAOYSA-N
+rxn:2:114522:102419,CCCC(Cc1ccc2ccccc2c1)NCCC#Cc1cn(C)cn1,JWFSWAJUDYUMMN-UHFFFAOYSA-N
+rxn:2:120294:169412,Cc1csc(-c2ccc(CCC(C)N[C@H]3C[C@@H](Oc4ncccn4)C3)cc2)c1,IMXCPEIBDIPJRR-PRJVBOEPSA-N
+rxn:2:121350:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CCCS3(=O)=O)cc2)c1,PONYHZLKCNYWJP-UHFFFAOYSA-N
+rxn:2:123785:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3ccc4[nH]cnc4c3)cc2)c1,XBSGJHHZEAQTKO-UHFFFAOYSA-N
+rxn:2:124198:129753,CC(NCCC#Cc1ccsc1)c1ccc(-c2cnn(C)c2)cc1,DVHNUSLEMGWEFH-UHFFFAOYSA-N
+rxn:2:125198:88359,CCC(NCCn1ncnn1)c1ccc(-c2cscc2C)cc1,XKMHBRKXQJBZCW-UHFFFAOYSA-N
+rxn:2:132946:169412,Cc1csc(-c2ccc(CCC(C)NCCCS(C)(=N)=O)cc2)c1,WHWQQYHTIFDEPU-UHFFFAOYSA-N
+rxn:2:133800:170060,Cc1cc(-c2ccc(CCC(C)NCCc3cc4n(n3)CCCC4)cc2)cs1,WVJKFTIUKIWMRR-UHFFFAOYSA-N
+rxn:2:134482:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCN(C)C)c2)cc1C,SFLRLZGUNSDUGB-UHFFFAOYSA-N
+rxn:2:136575:169412,COCc1ccnc(CCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)n1,RFRLPHJOWPZVOI-UHFFFAOYSA-N
+rxn:2:137510:112478,CC[C@H]1CCC(NCC(F)(F)c2ccc(C)cc2)C1,HUEGAILUCWCLSC-CFMCSPIPSA-N
+rxn:2:140868:158071,CC(Nc1ccnc(S(C)(=O)=O)c1)c1ccc(-c2nc3ccccc3o2)cc1,KYGOKKFLFIABOZ-UHFFFAOYSA-N
+rxn:2:141397:108959,CNC(C)c1ccc(-c2cccs2)cc1,DKFXOFWQCYJURO-UHFFFAOYSA-N
+rxn:2:141397:127577,CNC1CC2(C1)CC(c1ccccc1)C2,JDAURTHWQHDTPX-UHFFFAOYSA-N
+rxn:2:150747:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)[nH]c3c2)s1,XVPSQDWZDIDRHJ-UHFFFAOYSA-N
+rxn:2:163791:80751,CC(Nc1cccc2nc3ccccc3nc12)c1cn2c(n1)CCCC2,CKQCZOULZNENQX-UHFFFAOYSA-N
+rxn:2:66304:112875,CSc1ncc(C#CCCNC2CC(C#Cc3cccs3)C2)cn1,DDTPPXRATIYZOI-UHFFFAOYSA-N
+rxn:2:67562:108959,CC(NCCCc1cnc2cn[nH]c2c1)c1ccc(-c2cccs2)cc1,JCHFUNKNVWTQSZ-UHFFFAOYSA-N
+rxn:2:69750:170235,Cc1cccc(-c2ccc3oc(C(C)NCCC#CCN4CCOCC4)cc3c2)c1,MRAVIXOSWWSGCQ-UHFFFAOYSA-N
+rxn:2:73576:170502,Cc1cccc(-c2ccc(-c3ccc(C(C)NCCCc4c[nH][nH]c4=O)s3)cc2)c1,ISKUOWUWPAFHHK-UHFFFAOYSA-N
+rxn:2:73915:169085,COc1ccc2oc(-c3ccc(CCC(C)NCc4cc(OC)n[nH]4)cc3)cc2c1,PSNUBLPDWJWFJX-UHFFFAOYSA-N
+rxn:2:74377:95635,Cc1ccc(C#CCCNC2CCC(c3ccccc3)CC2F)s1,FKGQKPASQJQZJF-UHFFFAOYSA-N
+rxn:2:76939:88103,COCC(Nc1nnns1)c1cc2ccccc2s1,WEVOGXZDGGDZOT-UHFFFAOYSA-N
+rxn:2:78711:104956,COc1cc2c(cc1C)C(Nc1cc(C)c3c(c1)ncn3C)CC2,TZSUGRUHVRANIR-UHFFFAOYSA-N
+rxn:2:79984:172009,CCC(Nc1ccnnc1)c1ccc(-c2cc3ccccc3[nH]2)cc1C,LMIKNCWQGTVYFD-UHFFFAOYSA-N
+rxn:2:84976:142183,Cc1cncc(-c2csc(NCC=N)c2)c1,VVJONHUCCYPGQO-UHFFFAOYSA-N
+rxn:2:85110:169412,COc1ccc(CCCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)nc1,BFYHARZPNFEBNG-UHFFFAOYSA-N
+rxn:2:87202:152446,CC(NCCc1cn[nH]c1)c1ccc(C#Cc2ccccc2)cc1,NNAXSSBWWYVSEP-UHFFFAOYSA-N
+rxn:2:91779:108959,CC(NCCCc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,FAGKDBPYICTAPL-UHFFFAOYSA-N
+rxn:2:93026:170235,CO[C@@H]1COC[C@@H](NC(C)c2cc3cc(-c4cccc(C)c4)ccc3o2)C1,JLCVTIRNLJGRIM-ZMAUEPLISA-N
+rxn:2:94771:173095,CC(Nn1cnnc1)c1ccc2sc3ccccc3c2c1,IYWJQTKUMCPGLW-UHFFFAOYSA-N
+rxn:2:95375:169412,Cc1csc(-c2ccc(CCC(C)NC3CCCN(c4ccc(=O)[nH]n4)C3)cc2)c1,PYXKHSLMSNFQJC-UHFFFAOYSA-N
+rxn:2:95380:156984,COc1csc(-c2ccc(C(C)NCCOc3cnccn3)c(C)c2)c1,QVQKCABTOGFLJQ-UHFFFAOYSA-N